Chemical ID: 5294854

CCc1ccc(cc1)C2(Nc3ccccc3-c4n2c5ccccc5n4)C
Chemical ID:
5294854
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2(Nc3ccccc3-c4n2c5ccccc5n4)C
InChi [?]:
InChI=1/C23H21N3/c1-3-16-12-14-17(15-13-16)23(2)25-19-9-5-4-8-18(19)22-24-20-10-6-7-11-21(20)26(22)23/h4-15,25H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,14,13,22,21,15,12,23,20,4,8,5,7,3,6,16,11,24,19,17,9,25,10,18/E:(12,13)(14,15)/rA:26cCCCCCCCCCNCCCCCCCNCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;s18;s19;d20;s21;d22;d19s23;d17s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.3762
Area:522.054
Solvation:-1.67513
Coulombic:-28.3872
Bond Count [?]
All:30
Single:20
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.433
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.97
LogP (Chemaxon):7.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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